SCHEMBL22650898

SCHEMBL22650898

c1ccc(-n2c3sc4[nH]c5ccccc5c4c3c3ccc4ccccc4c32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.38
PDE7A Q13946 2/20 0.38
PDE7B Q9NP56 2/20 0.38
CDK4 P11802 5/20 0.37
CCND1 P24385 5/20 0.37
CCNE2 O96020 2/20 0.35
CCNE1 P24864 2/20 0.35
CDK2 P24941 2/20 0.35
CCNB2 O95067 1/20 0.35
PRKCG P05129 1/20 0.35
PRKCB P05771 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
PRKCA P17252 1/20 0.35
GSK3B P49841 1/20 0.35
MAP3K9 P80192 1/20 0.35
MAP3K11 Q16584 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22650711 0.89 CHEK1 (0.30) KIF11PDE7APDE7BCDK4CCND1
SCHEMBL22650728 0.89 CDK4 (0.33) KIF11PDE7APDE7BCDK4CCND1
SCHEMBL22650653 0.77 L3MBTL1 (0.44) KDM4EALDH1A1HSD17B10PRNPCYP3A4
SCHEMBL21676043 0.76 GABRP (0.47) KIF11PDE7APDE7BCDK4CCND1
SCHEMBL19786526 0.75 KIF11 (0.49) KIF11PDE7APDE7BCDK4CCND1
SCHEMBL19573583 0.75 CDK4 (0.43) KIF11PDE7APDE7BCDK4CCND1
SCHEMBL22650650 0.72 L3MBTL1 (0.39) KDM4EALDH1A1HSD17B10PRNPMAPT
SCHEMBL19382767 0.71 KIF11 (0.58) KIF11PDE7APDE7BCDK4CCND1
SCHEMBL22650655 0.71 KDM4E (0.38) PDE7AKDM4EALDH1A1HSD17B10PRNP
SCHEMBL21676035 0.70 CDK4 (0.43) KIF11PDE7APDE7BCDK4CCND1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020226295-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING ORGANIC ELECTRIC ELEMENT 덕산네오룩스 주식회사 2020-11-12 WO disclosed